Glycoside
GD091312
Name:
NoneFormula:
C17H25O8NS2Smiles:
O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
O=S(=O)(CC1CCCO1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.52 | Num_heavy_atoms: | 28 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD39832
Formula: C11H15O3NS2
Smiles:
O=S(=O)(CC1CCCO1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 273.38 | Num_heavy_atoms: | 17 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
